3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol

C15H26Cl2N2O3S — CID 167323116

IUPAC3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol
SMILESO=S1(=O)CCCN1CC1CC(C2C(O)CCC(Cl)C2Cl)CCN1
InChIInChI=1S/C15H26Cl2N2O3S/c16-12-2-3-13(20)14(15(12)17)10-4-5-18-11(8-10)9-19-6-1-7-23(19,21)22/h10-15,18,20H,1-9H2
InChIKeyWECLJWABMKEDDP-UHFFFAOYSA-N
MW385.36 g/mol
LogP1.38
Rot. Bonds3

About 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol

3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol (PubChem CID 167323116) has the molecular formula C15H26Cl2N2O3S and a molecular weight of 385.36 g/mol. Its IUPAC name is 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol
PubChem CID167323116
Molecular FormulaC15H26Cl2N2O3S
Molecular Weight385.36 g/mol
Exact Mass384.10
IUPAC Name3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol
SMILESO=S1(=O)CCCN1CC1CC(C2C(O)CCC(Cl)C2Cl)CCN1
InChIInChI=1S/C15H26Cl2N2O3S/c16-12-2-3-13(20)14(15(12)17)10-4-5-18-11(8-10)9-19-6-1-7-23(19,21)22/h10-15,18,20H,1-9H2
InChIKeyWECLJWABMKEDDP-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol?
The IUPAC name of 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol (CID 167323116) is 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol?
The canonical SMILES for 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol is O=S1(=O)CCCN1CC1CC(C2C(O)CCC(Cl)C2Cl)CCN1.
What is the InChIKey of 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol?
The InChIKey is WECLJWABMKEDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Cl2N2O3S/c16-12-2-3-13(20)14(15(12)17)10-4-5-18-11(8-10)9-19-6-1-7-23(19,21)22/h10-15,18,20H,1-9H2.
What are the key properties of 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol?
3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol has a molecular weight of 385.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 167323116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).